Compound	(-)-Gossypol
NPACT-Id	NPACT00004
IUPAC	7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Synonyms	gossypol;(-)-Gossypol;(+)-Gossypol;racemic-Gossypol;(+-)-Gossypol;(+/-)-Gossypol
PubChem Id	3503
Class	Terpenoids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	BBC3 \| BCL2 \| BCL2L1 \| BCL2L11 \| MCL1 \| PMAIP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	QBKSWRVVCFFDOT-UHFFFAOYSA-N
InChi	1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
SMILES	Oc1c(c2c(cc3c(c2O)c(c(O)c(O)c3C(C)C)C=O)C)c(cc2c1c(c(O)c(O)c2C(C)C)C=O)C
SMART	[H]OC1=C(C([H])=O)C2=C(C([H])=C(C(=C2O[H])C2=C(O[H])C3=C(C([H])=C2C([H])([H])[H])C(=C(O[H])C(O[H])=C3C([H])=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.	303-45-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	D006072
	HIT	C0269
	NCI-60 GI₅₀ data	303-45-7
Suppliers	AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemMol, Hangzhou APIChem Technology, MolPort, MP Biomedicals, Selleck Chemicals, Sigma-Aldrich, TimTec, Vitas-M Laboratory, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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